Biotransformation Network
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| Successor SMILES | Successor PubChem ID | Reaction Name | Reaction SMILES | Enzyme | Biosystem | Transformation |
|---|---|---|---|---|---|---|
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)CO[C@@H]4OC[C@@](O)([C@H]4O)C=O)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C | EAWAG_RULE_BT0001 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC(C=C(O)C([O-])=O)=CC=O)[C@@H]1O)CO[C@@H]3OC[C@@](O)([C@H]3O)CO)[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C | EAWAG_RULE_BT0008 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C(C=C(O)C([O-])=O)=CC=O)[C@H](O[C@@H](OCCC2=CC(O)=C(O)C=C2)[C@@H]1O)CO[C@@H]3OC[C@@](O)([C@H]3O)CO)[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C | EAWAG_RULE_BT0008 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)CO[C@@H]4OC[C@@](O)([C@H]4O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)C5=O)C | EAWAG_RULE_BT0002 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)CO[C@@H]4OC[C@@](O)([C@H]4O)CO)[C@@H]5O[C@H]([C@H](O)C(=O)[C@H]5O)C | EAWAG_RULE_BT0002 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)CO[C@@H]4OC[C@@](O)([C@H]4O)CO)[C@@H]5O[C@H](C(=O)[C@@H](O)[C@H]5O)C | EAWAG_RULE_BT0002 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)CO[C@@H]4OC[C@@](O)(C4=O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C | EAWAG_RULE_BT0002 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)C1=O)CO[C@@H]4OC[C@@](O)([C@H]4O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C | EAWAG_RULE_BT0002 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1C([C@H](O[C@@H](OCCC2=CC(O)=C(O)C=C2)[C@@H]1O)CO[C@@H]3OC[C@@](O)([C@H]3O)CO)O)[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C | EAWAG_RULE_BT0024_PATTERN1 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| [O-]C(=O)/C=C/C1=CC(O)=C(O)C=C1 | 5288055 | EAWAG_RULE_BT0024_PATTERN1 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | ||
| O([C@H]1[C@H](OC(=O)CCC2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)CO[C@@H]4OC[C@@](O)([C@H]4O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C | EAWAG_RULE_BT0291_PATTERN1 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC(CC(=[OH])C([OH-])=O)=C)[C@@H]1O)CO[C@@H]3OC[C@@](O)([C@H]3O)CO)[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C | EAWAG_RULE_BT0351_PATTERN6 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | |||
| C([O-])=O | 283 | EAWAG_RULE_BT0351_PATTERN6 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) | ||
| O([C@H]1[C@H](OC(=O)/C=C/C(CC(=[OH])C([OH-])=O)=C)[C@H](O[C@@H](OCCC2=CC(O)=C(O)C=C2)[C@@H]1O)CO[C@@H]3OC[C@@](O)([C@H]3O)CO)[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C | EAWAG_RULE_BT0351_PATTERN6 | Unspecified environmental bacterial enzyme | ENVMICRO (Biotransformer3 ) |
EPA EPISUITE – Environmental Fate
No EPISUITE data available.
EPA ECOSAR – Aquatic Toxicity
No ECOSAR data available.
DISCLAIMER
ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.